Felix R S Purtscher

Storage and diffusion of CO2 in covalent organic frameworks—A neural network-based molecular dynamics simulation approach

T. Hofer, B. Kriesche, Laura E. Kronenberg, 2023, Frontiers in Chemistry.

Structural, dynamical, and photochemical properties of ortho-tetrafluoroazobenzene inside a flexible MOF under visible light irradiation

T. Hofer, H. Huppertz, H. Kopacka, 2021, RSC advances.

Structural Properties of Metal–Organic Frameworks at Elevated Thermal Conditions via a Combined Density Functional Tight Binding Molecular Dynamics (DFTB MD) Approach

T. Hofer, H. Schwartz, E. Bendeif, 2023, The journal of physical chemistry. C, Nanomaterials and interfaces.